N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide

C18H45NO4Si5 — CID 19812126

About N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide

N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide (PubChem CID 19812126) has the molecular formula C18H45NO4Si5 and a molecular weight of 479.99 g/mol. Its IUPAC name is N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide
• PubChem CID: 19812126
• Molecular Formula: C18H45NO4Si5
• Molecular Weight: 479.99 g/mol
• Exact Mass: 479.22
• IUPAC Name: N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide
• SMILES: C=C(C)C(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)[Si](C)(C)C
• InChI: InChI=1S/C18H45NO4Si5/c1-17(2)18(20)19-15-14-16-28(21-24(3,4)5,22-25(6,7)8)23-27(12,13)26(9,10)11/h1,14-16H2,2-13H3,(H,19,20)
• InChIKey: XZHIHWVKJUTDDD-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.99
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide?

The IUPAC name of N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide (CID 19812126) is N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide.

What is the SMILES notation for N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide?

The canonical SMILES for N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)[Si](C)(C)C.

What is the InChIKey of N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide?

The InChIKey is XZHIHWVKJUTDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H45NO4Si5/c1-17(2)18(20)19-15-14-16-28(21-24(3,4)5,22-25(6,7)8)23-27(12,13)26(9,10)11/h1,14-16H2,2-13H3,(H,19,20).

What are the key properties of N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide?

N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide has a molecular weight of 479.99 g/mol, XLogP of 5.35, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[dimethyl(trimethylsilyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 19812126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).